Journal article
The structure of binary Lennard-Jones clusters: The effects of atomic size ratio
- Abstract:
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We introduce a global optimization approach for binary clusters that for a given cluster size is able to directly search for the structure and composition that has the greatest stability. We apply this approach to binary Lennard-Jones clusters, where the strength of the interactions between the two atom types is the same, but where the atoms have different sizes. We map out how the most stable structure depends on the cluster size and the atomic size ratio for clusters with up to 100 atoms an...
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- Publication status:
- Not published
- Peer review status:
- Not peer reviewed
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(Author's original, pdf, 1.9MB)
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Authors
Funding
Royal Society
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Bibliographic Details
- Publication date:
- 2006-04-10
- Source identifiers:
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45794
Item Description
- Keywords:
- Pubs id:
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pubs:45794
- UUID:
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uuid:3ff6ab43-78f6-405b-8aa5-0da87f7bf265
- Local pid:
- pubs:45794
- Deposit date:
- 2013-03-20
Terms of use
- Copyright holder:
- Jonathan P K Doye and Lars Meyer
- Copyright date:
- 2006
- Notes:
- Copyright 2006. Jonathan P. K. Doye and Lars Meyer.
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